alpha-Cyanocinnamate
TL;DR: alpha-Cyanocinnamate (CAS 148238-25-9) is a chemical compound with molecular formula C10H7NO2 and molecular weight 173.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-phenylprop-2-enoic acid
Also Known As: alpha-Cyanocinnamic acid, alpha-Cyanocinnamate, 2-Cyano-3-phenylacrylic Acid, 2-Cyanocinnamic acid, A-Cyanocinnamic Acid
| Molecular Formula | C10H7NO2 |
|---|---|
| Molecular Weight | 173.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.04768 |
| Heavy Atoms | 13 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 148238-25-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C(\C#N)/C(=O)O |
| InChIKey | CDUQMGQIHYISOP-RMKNXTFCSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Cyanocinnamate (CAS 148238-25-9), with molecular formula C10H7NO2 and molecular weight 173.05 g/mol. IUPAC: (E)-2-cyano-3-phenylprop-2-enoic acid.
Chemical Property Profile of alpha-Cyanocinnamate
Property Insights of alpha-Cyanocinnamate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Cyanocinnamate. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Cyanocinnamate. Following Lipinski's Rule of Five, alpha-Cyanocinnamate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of alpha-Cyanocinnamate?
The CAS number of alpha-Cyanocinnamate is 148238-25-9.
What is the molecular formula of alpha-Cyanocinnamate?
The molecular formula of alpha-Cyanocinnamate is C10H7NO2.
What is the molecular weight of alpha-Cyanocinnamate?
The molecular weight of alpha-Cyanocinnamate is 173.05 g/mol.
Where can I buy alpha-Cyanocinnamate?
You can request a quote for alpha-Cyanocinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Cyanocinnamate?
Yes, KEHONG BIO provides custom synthesis services for alpha-Cyanocinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.